SCHEMBL3082957

SCHEMBL3082957

O=C(NCCCN1CCOCC1)c1cnoc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ TSHR P16473 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29672523 0.82 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1TSHRKDM4ECYP2D6
SCHEMBL1382764 0.79 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL5222020 0.78 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1TSHRKDM4ECYP2D6
SCHEMBL5813832 0.78 SMN1; SMN2 (0.98) SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL13403410 0.77 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1TSHRKDM4ECYP2D6
SCHEMBL763452 0.76 HTT (0.78) SMN1; SMN2ALDH1A1TSHRKDM4ECYP2D6
Eprobemide SCHEMBL570896 0.76 ALDH1A1 (0.85) SMN1; SMN2ALDH1A1TSHRKDM4ECYP2D6
SCHEMBL12459935 0.76 CD274 (0.79) SMN1; SMN2ALDH1A1TSHRKDM4ECYP2D6
SCHEMBL3034681 0.76 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1TSHRKDM4ECYP2D6
SCHEMBL2249600 0.75 TSHR (0.74) SMN1; SMN2ALDH1A1TSHRKDM4ECYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795290-B2 2-amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2010-09-14 — — US disclosed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 — — US disclosed
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 — — US disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK SMN1; SMN2 4020/4885ALDH1A1 554/4885TSHR 2723/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK SMN1; SMN2 4020/4885ALDH1A1 554/4885TSHR 2723/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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